6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide

C20H14N4O3 — CID 109164804

IUPAC6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCO4)nc2)cc1
InChIInChI=1S/C20H14N4O3/c21-10-13-1-4-15(5-2-13)24-20(25)14-3-8-19(22-11-14)23-16-6-7-17-18(9-16)27-12-26-17/h1-9,11H,12H2,(H,22,23)(H,24,25)
InChIKeyCZBXAGCHKVLHPE-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.68
Rot. Bonds4

About 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide

6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109164804) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
PubChem CID109164804
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCO4)nc2)cc1
InChIInChI=1S/C20H14N4O3/c21-10-13-1-4-15(5-2-13)24-20(25)14-3-8-19(22-11-14)23-16-6-7-17-18(9-16)27-12-26-17/h1-9,11H,12H2,(H,22,23)(H,24,25)
InChIKeyCZBXAGCHKVLHPE-UHFFFAOYSA-N
XLogP3.68
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109163145
1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide (CID 109164804) is 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCO4)nc2)cc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is CZBXAGCHKVLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c21-10-13-1-4-15(5-2-13)24-20(25)14-3-8-19(22-11-14)23-16-6-7-17-18(9-16)27-12-26-17/h1-9,11H,12H2,(H,22,23)(H,24,25).
What are the key properties of 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide?
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).